(E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide

C10H13N3O — CID 118332439

IUPAC(E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide
SMILESCN/C=C(/N)C(=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O/c1-12-7-9(11)10(14)13-8-5-3-2-4-6-8/h2-7,12H,11H2,1H3,(H,13,14)/b9-7+
InChIKeyPUENFSVBPAYFLL-VQHVLOKHSA-N
MW191.23 g/mol
LogP0.64
Rot. Bonds3

About (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide

(E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide (PubChem CID 118332439) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide
PubChem CID118332439
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide
SMILESCN/C=C(/N)C(=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O/c1-12-7-9(11)10(14)13-8-5-3-2-4-6-8/h2-7,12H,11H2,1H3,(H,13,14)/b9-7+
InChIKeyPUENFSVBPAYFLL-VQHVLOKHSA-N
XLogP0.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane
CID 142888465
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210
(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649
N'-hydroxy-N-phenyloxamide
CID 5008441
2-anilino-N-phenylprop-2-enamide
CID 20522355
molecular hydrogen;phenylurea
CID 143657584
potassium 2-anilino-2-oxoacetate
CID 23690423
carbamic acid;methane;phenylcarbamic acid
CID 70508846
ethanol;phenylurea
CID 158950745
cobalt;N-phenylacetamide
CID 158689050
phenylurea;thiourea
CID 160770333
(Z)-2-fluoro-4-hydroxy-N-phenylbut-2-enamide
CID 102504908

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide?
The IUPAC name of (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide (CID 118332439) is (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide is CN/C=C(/N)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide?
The InChIKey is PUENFSVBPAYFLL-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H13N3O/c1-12-7-9(11)10(14)13-8-5-3-2-4-6-8/h2-7,12H,11H2,1H3,(H,13,14)/b9-7+.
What are the key properties of (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide?
(E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide is sourced from PubChem (CID 118332439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).